4-(cyclohexanesulfonyl)-2-[(4-methylphenyl)methanesulfonyl]-5,6,7,8-tetrahydroquinazoline

4-(cyclohexanesulfonyl)-2-[(4-methylphenyl)methanesulfonyl]-5,6,7,8-tetrahydroquinazoline

CAS: 478049-63-7

Formula: C22H28N2O4S2

SMILES: CC1=CC=C(CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)S(=O)(=O)C2CCCCC2)C=C1

IUPAC: 4-(cyclohexanesulfonyl)-2-[(4-methylphenyl)methanesulfonyl]-5,6,7,8-tetrahydroquinazoline

InChI: InChI=1S/C22H28N2O4S2/c1-16-11-13-17(14-12-16)15-29(25,26)22-23-20-10-6-5-9-19(20)21(24-22)30(27,28)18-7-3-2-4-8-18/h11-14,18H,2-10,15H2,1H3

Composition: C (58.90%), H (6.29%), N (6.24%), O (14.27%), S (14.29%)

Molar Mass: 448.6

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.149049738
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	QEXWIRSUJQKTHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.47
Topological Polar Surface Area	94.06
Polarizability	46.87
Ring Count	4
Rotatable Bond Count	5

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